Spektraris NMR
6''-O-Xylosylglycitin
Common Name: 6''-O-Xylosylglycitin
Synonyms: 6''-O-Xylosylglycitin
CAS Registry Number:
InChI: InChI=1S/C27H30O14/c1-36-17-6-13-16(37-8-14(20(13)30)11-2-4-12(28)5-3-11)7-18(17)40-27-25(35)23(33)22(32)19(41-27)10-39-26-24(34)21(31)15(29)9-38-26/h2-8,15,19,21-29,31-35H,9-10H2,1H3/t15-,19-,21+,22-,23+,24-,25-,26+,27-/m1/s1
InChIKey: InChIKey=MYJXWCIZOOKQLK-MUCJXJSVSA-N
Formula: C27H30O14
Molecular Weight: 578.519761
Exact Mass: 578.163556
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Park, H.J., Park, J.H., Moon, J.O., Lee, K.T., Jung, W.T., Oh, S.R., Lee, H.K. Phytochemistry (1999) 51, 147-51
Species:
Notes: Family : Flavonoids, Type : Isoflavonoids, Group : Isoflavones; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 2 (CH) | 152.9 |
| 3 (C) | 123.1 |
| 4 (C) | 174.4 |
| 5 (CH) | 104.8 |
| 6 (C) | 147.4 |
| 7 (C) | 151.4 |
| 8 (CH) | 103.6 |
| 9 (C) | 151.3 |
| 10 (C) | 117.9 |
| 1' (C) | 122.6 |
| 2' (CH) | 130 |
| 3' (CH) | 115 |
| 4' (C) | 157.2 |
| 5' (CH) | 115 |
| 6' (CH) | 130 |
| 1'' (CH) | 99.7 |
| 2'' (CH) | 73 |
| 3'' (CH) | 76.7 |
| 4'' (CH) | 69.7 |
| 5'' (CH) | 75.7 |
| 6'' (CH2) | 68.7 |
| 1''' (CH) | 104.2 |
| 2''' (CH) | 73.4 |
| 3''' (CH) | 76.5 |
| 4''' (CH) | 69.4 |
| 5''' (CH2) | 65.6 |
| 6a (CH3) | 55.9 |
